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]+ 186.11248 139.8
[M+Na]+ 208.09442 146.7
[M-H]- 184.09792 142.7
[M+NH4]+ 203.13902 166.4
[M+K]+ 224.06836 146.7
[M+H-H2O]+ 168.10246 136.7
[M+HCOO]- 230.10340 160.2
[M+CH3COO]- 244.11905 180.4
[M+Na-2H]- 206.07987 146.0
[M]+ 185.10465 140.0
[M]- 185.10575 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.