CID 10559097

Methyl 2-(dimethylamino)-2-methylpent-4-enoate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(CC=C)(C(=O)OC)N(C)C
InChI
InChI=1S/C9H17NO2/c1-6-7-9(2,10(3)4)8(11)12-5/h6H,1,7H2,2-5H3
InChIKey
BHPSUZYIVYIEIG-UHFFFAOYSA-N
Compound name
methyl 2-(dimethylamino)-2-methylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

171.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.0
[M+Na]+ 194.115148 145.3
[M-H]- 170.118654 140.7
[M+NH4]+ 189.159753 160.0
[M+K]+ 210.089088 146.2
[M+H-H2O]+ 154.123190 134.2
[M+HCOO]- 216.124131 161.8
[M+CH3COO]- 230.139781 187.1
[M+Na-2H]- 192.100596 143.6
[M]+ 171.12538142 142.2
[M]- 171.12647858 142.2
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