CID 47410

64513-70-8

Structural Information

Molecular Formula

SMILES

C1CC1C(=O)NCC(=O)O

InChI

InChI=1S/C6H9NO3/c8-5(9)3-7-6(10)4-1-2-4/h4H,1-3H2,(H,7,10)(H,8,9)

InChIKey

NDLLIOPAEOBFKZ-UHFFFAOYSA-N

Compound name

2-(cyclopropanecarbonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 63
Patents: 143.05824 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	144.065516	127.4
[M+Na]+	166.047458	135.5
[M-H]-	142.050964	130.9
[M+NH4]+	161.092063	143.0
[M+K]+	182.021398	133.5
[M+H-H2O]+	126.055500	121.9
[M+HCOO]-	188.056441	150.3
[M+CH3COO]-	202.072091	176.6
[M+Na-2H]-	164.032906	132.5
[M]+	143.05769142	129.0
[M]-	143.05878858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe