CID 155977862

Methyl 1-(aminomethyl)-2-oxabicyclo[3.1.1]heptane-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO3
SMILES
COC(=O)C1COC2(CC1C2)CN
InChI
InChI=1S/C9H15NO3/c1-12-8(11)7-4-13-9(5-10)2-6(7)3-9/h6-7H,2-5,10H2,1H3
InChIKey
TWWCQXBEWCPVBE-UHFFFAOYSA-N
Compound name
methyl 1-(aminomethyl)-2-oxabicyclo[3.1.1]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 148.1
[M+Na]+ 208.094418 152.0
[M-H]- 184.097924 147.2
[M+NH4]+ 203.139023 165.5
[M+K]+ 224.068358 155.7
[M+H-H2O]+ 168.102460 139.2
[M+HCOO]- 230.103401 160.6
[M+CH3COO]- 244.119051 190.2
[M+Na-2H]- 206.079866 157.7
[M]+ 185.10465142 159.7
[M]- 185.10574858 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.