CID 535

1-aminocyclopropanecarboxylic acid

Structural Information

Molecular Formula
C4H7NO2
SMILES
C1CC1(C(=O)O)N
InChI
InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
InChIKey
PAJPWUMXBYXFCZ-UHFFFAOYSA-N
Compound name
1-aminocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1117
References

19199
Patents

101.047676 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 117.2
[M+Na]+ 124.03689 126.8
[M-H]- 100.04040 120.8
[M+NH4]+ 119.08150 136.1
[M+K]+ 140.01083 125.6
[M+H-H2O]+ 84.044936 113.4
[M+HCOO]- 146.04588 140.2
[M+CH3COO]- 160.06153 168.5
[M+Na-2H]- 122.02234 124.6
[M]+ 101.04713 117.5
[M]- 101.04822 117.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe