CID 12636111

Ethyl 3-[(propan-2-yl)amino]propanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCOC(=O)CCNC(C)C
InChI
InChI=1S/C8H17NO2/c1-4-11-8(10)5-6-9-7(2)3/h7,9H,4-6H2,1-3H3
InChIKey
BGEHOKVPALSAIX-UHFFFAOYSA-N
Compound name
ethyl 3-(propan-2-ylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

159.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 138.0
[M+Na]+ 182.11515 143.4
[M-H]- 158.11865 138.1
[M+NH4]+ 177.15975 158.7
[M+K]+ 198.08909 143.9
[M+H-H2O]+ 142.12319 132.7
[M+HCOO]- 204.12413 160.9
[M+CH3COO]- 218.13978 182.1
[M+Na-2H]- 180.10060 141.6
[M]+ 159.12538 140.0
[M]- 159.12648 140.0
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