CID 4519556

123311-22-8

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC1(CC1(C(=O)O)N)C
InChI
InChI=1S/C6H11NO2/c1-5(2)3-6(5,7)4(8)9/h3,7H2,1-2H3,(H,8,9)
InChIKey
CUDYUNNRMLWYTR-UHFFFAOYSA-N
Compound name
1-amino-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

129.07898 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 124.6
[M+Na]+ 152.06820 134.8
[M-H]- 128.07170 128.5
[M+NH4]+ 147.11280 144.6
[M+K]+ 168.04214 134.1
[M+H-H2O]+ 112.07624 122.3
[M+HCOO]- 174.07718 146.5
[M+CH3COO]- 188.09283 175.2
[M+Na-2H]- 150.05365 131.5
[M]+ 129.07843 126.5
[M]- 129.07953 126.5
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