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]+ 172.13321 139.0
[M+Na]+ 194.11515 145.3
[M-H]- 170.11865 140.7
[M+NH4]+ 189.15975 160.0
[M+K]+ 210.08909 146.2
[M+H-H2O]+ 154.12319 134.2
[M+HCOO]- 216.12413 161.8
[M+CH3COO]- 230.13978 187.1
[M+Na-2H]- 192.10060 143.6
[M]+ 171.12538 142.2
[M]- 171.12648 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