CID 165785318

3-(dimethylamino)-n-methyl-n-(prop-2-yn-1-yl)propanamide

Structural Information

Molecular Formula
C9H16N2O
SMILES
CN(C)CCC(=O)N(C)CC#C
InChI
InChI=1S/C9H16N2O/c1-5-7-11(4)9(12)6-8-10(2)3/h1H,6-8H2,2-4H3
InChIKey
QKUNDVLNCFCKRP-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-N-methyl-N-prop-2-ynylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 139.2
[M+Na]+ 191.115488 146.2
[M-H]- 167.118994 141.0
[M+NH4]+ 186.160093 158.0
[M+K]+ 207.089428 147.0
[M+H-H2O]+ 151.123530 127.2
[M+HCOO]- 213.124471 158.6
[M+CH3COO]- 227.140121 199.5
[M+Na-2H]- 189.100936 141.8
[M]+ 168.12572142 136.2
[M]- 168.12681858 136.2
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

No patent data available for this compound.