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
5
Annotation Hits

1118
References

15254
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 120.3
[M+Na]+ 124.03689 130.8
[M+NH4]+ 119.08150 129.9
[M+K]+ 140.01083 127.0
[M-H]- 100.04040 127.6
[M+Na-2H]- 122.02234 128.5
[M]+ 101.04713 124.8
[M]- 101.04822 124.8
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

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