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]+ 186.11248 148.1
[M+Na]+ 208.09442 152.0
[M-H]- 184.09792 147.2
[M+NH4]+ 203.13902 165.5
[M+K]+ 224.06836 155.7
[M+H-H2O]+ 168.10246 139.2
[M+HCOO]- 230.10340 160.6
[M+CH3COO]- 244.11905 190.2
[M+Na-2H]- 206.07987 157.7
[M]+ 185.10465 159.7
[M]- 185.10575 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.