CID 45089110

1000386-67-3

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC(=O)C1(CC=CC1)N
InChI
InChI=1S/C7H11NO2/c1-10-6(9)7(8)4-2-3-5-7/h2-3H,4-5,8H2,1H3
InChIKey
SQZXVUHHCHEKDH-UHFFFAOYSA-N
Compound name
methyl 1-aminocyclopent-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

141.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 128.6
[M+Na]+ 164.06820 135.8
[M-H]- 140.07170 131.9
[M+NH4]+ 159.11280 153.2
[M+K]+ 180.04214 135.4
[M+H-H2O]+ 124.07624 124.1
[M+HCOO]- 186.07718 153.1
[M+CH3COO]- 200.09283 172.7
[M+Na-2H]- 162.05365 133.8
[M]+ 141.07843 127.0
[M]- 141.07953 127.0
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