CID 154856935

2490404-72-1

Structural Information

Molecular Formula
C11H17NO2
SMILES
COC(=O)C12CC3CC1(CC3C2)CN
InChI
InChI=1S/C11H17NO2/c1-14-9(13)11-4-7-2-10(11,6-12)3-8(7)5-11/h7-8H,2-6,12H2,1H3
InChIKey
MBHJOATXJUOLKS-UHFFFAOYSA-N
Compound name
methyl 5-(aminomethyl)tricyclo[3.3.0.03,7]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 146.6
[M+Na]+ 218.11515 153.4
[M-H]- 194.11865 146.8
[M+NH4]+ 213.15975 180.2
[M+K]+ 234.08909 150.8
[M+H-H2O]+ 178.12319 145.0
[M+HCOO]- 240.12413 164.1
[M+CH3COO]- 254.13978 159.1
[M+Na-2H]- 216.10060 151.1
[M]+ 195.12538 151.5
[M]- 195.12648 151.5
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.