CID 335849

Amino(1-cyclohepten-1-yl)acetic acid

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CCC=C(CC1)C(C(=O)O)N
InChI
InChI=1S/C9H15NO2/c10-8(9(11)12)7-5-3-1-2-4-6-7/h5,8H,1-4,6,10H2,(H,11,12)
InChIKey
CGRVTRCGLLZVBR-UHFFFAOYSA-N
Compound name
2-amino-2-(cyclohepten-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.11028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 133.0
[M+Na]+ 192.09950 134.9
[M-H]- 168.10300 135.2
[M+NH4]+ 187.14410 150.3
[M+K]+ 208.07344 138.6
[M+H-H2O]+ 152.10754 127.8
[M+HCOO]- 214.10848 151.5
[M+CH3COO]- 228.12413 180.5
[M+Na-2H]- 190.08495 135.4
[M]+ 169.10973 124.4
[M]- 169.11083 124.4
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.