CID 21504680

2-(1-acetamidocyclopropyl)acetic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC(=O)NC1(CC1)CC(=O)O
InChI
InChI=1S/C7H11NO3/c1-5(9)8-7(2-3-7)4-6(10)11/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey
SBYCWQPNKUMQSR-UHFFFAOYSA-N
Compound name
2-(1-acetamidocyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.3
[M+Na]+ 180.063118 140.6
[M-H]- 156.066624 135.9
[M+NH4]+ 175.107723 149.2
[M+K]+ 196.037058 139.3
[M+H-H2O]+ 140.071160 128.1
[M+HCOO]- 202.072101 154.4
[M+CH3COO]- 216.087751 179.1
[M+Na-2H]- 178.048566 137.9
[M]+ 157.07335142 134.7
[M]- 157.07444858 134.7
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.