CID 28064656

2-(cyclopentyl(methyl)amino)acetic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
CN(CC(=O)O)C1CCCC1
InChI
InChI=1S/C8H15NO2/c1-9(6-8(10)11)7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,11)
InChIKey
DARPVXNMSUKSIG-UHFFFAOYSA-N
Compound name
2-[cyclopentyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

157.11028 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.0
[M+Na]+ 180.099498 140.4
[M-H]- 156.103004 138.9
[M+NH4]+ 175.144103 157.9
[M+K]+ 196.073438 140.6
[M+H-H2O]+ 140.107540 130.3
[M+HCOO]- 202.108481 158.2
[M+CH3COO]- 216.124131 178.8
[M+Na-2H]- 178.084946 138.2
[M]+ 157.10973142 133.4
[M]- 157.11082858 133.4
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

patents stripe