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]+ 158.11756 136.1
[M+Na]+ 180.09950 142.6
[M-H]- 156.10300 136.0
[M+NH4]+ 175.14410 156.8
[M+K]+ 196.07344 142.1
[M+H-H2O]+ 140.10754 131.7
[M+HCOO]- 202.10848 158.1
[M+CH3COO]- 216.12413 179.2
[M+Na-2H]- 178.08495 140.8
[M]+ 157.10973 136.5
[M]- 157.11083 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