CID 74947228

2839138-35-9

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(CCCC1)C(C(=O)O)N
InChI
InChI=1S/C8H15NO2/c1-8(4-2-3-5-8)6(9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKey
BTQSWRBSXLFCPG-UHFFFAOYSA-N
Compound name
2-amino-2-(1-methylcyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.11028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.3
[M+Na]+ 180.099498 141.3
[M-H]- 156.103004 137.6
[M+NH4]+ 175.144103 159.2
[M+K]+ 196.073438 140.4
[M+H-H2O]+ 140.107540 131.9
[M+HCOO]- 202.108481 156.4
[M+CH3COO]- 216.124131 175.1
[M+Na-2H]- 178.084946 138.2
[M]+ 157.10973142 131.1
[M]- 157.11082858 131.1
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

patents stripe