CID 165890515

2839144-23-7

Structural Information

Molecular Formula
C9H15NO3
SMILES
COC(=O)C12CCC(O1)(CC2)CN
InChI
InChI=1S/C9H15NO3/c1-12-7(11)9-4-2-8(6-10,13-9)3-5-9/h2-6,10H2,1H3
InChIKey
FLRKXUANUMUHTO-UHFFFAOYSA-N
Compound name
methyl 4-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 139.8
[M+Na]+ 208.094418 146.7
[M-H]- 184.097924 142.7
[M+NH4]+ 203.139023 166.4
[M+K]+ 224.068358 146.7
[M+H-H2O]+ 168.102460 136.7
[M+HCOO]- 230.103401 160.2
[M+CH3COO]- 244.119051 180.4
[M+Na-2H]- 206.079866 146.0
[M]+ 185.10465142 140.0
[M]- 185.10574858 140.0
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.