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]+ 196.133206 146.6
[M+Na]+ 218.115148 153.4
[M-H]- 194.118654 146.8
[M+NH4]+ 213.159753 180.2
[M+K]+ 234.089088 150.8
[M+H-H2O]+ 178.123190 145.0
[M+HCOO]- 240.124131 164.1
[M+CH3COO]- 254.139781 159.1
[M+Na-2H]- 216.100596 151.1
[M]+ 195.12538142 151.5
[M]- 195.12647858 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.