CID 56956234

Methyl (2e)-5-amino-5-methylhex-2-enoate hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)(C/C=C/C(=O)OC)N
InChI
InChI=1S/C8H15NO2/c1-8(2,9)6-4-5-7(10)11-3/h4-5H,6,9H2,1-3H3/b5-4+
InChIKey
GQDKPPOKFCODNC-SNAWJCMRSA-N
Compound name
methyl (E)-5-amino-5-methylhex-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.11028 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.1
[M+Na]+ 180.099498 142.6
[M-H]- 156.103004 136.0
[M+NH4]+ 175.144103 156.8
[M+K]+ 196.073438 142.1
[M+H-H2O]+ 140.107540 131.7
[M+HCOO]- 202.108481 158.1
[M+CH3COO]- 216.124131 179.2
[M+Na-2H]- 178.084946 140.8
[M]+ 157.10973142 136.5
[M]- 157.11082858 136.5
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