CID 9120712

2-cyano-n-(3-isopropoxypropyl)acetamide

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)OCCCNC(=O)CC#N
InChI
InChI=1S/C9H16N2O2/c1-8(2)13-7-3-6-11-9(12)4-5-10/h8H,3-4,6-7H2,1-2H3,(H,11,12)
InChIKey
JNBXIQGNRWMCOZ-UHFFFAOYSA-N
Compound name
2-cyano-N-(3-propan-2-yloxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 141.4
[M+Na]+ 207.11041 148.2
[M-H]- 183.11391 141.7
[M+NH4]+ 202.15501 158.9
[M+K]+ 223.08435 148.3
[M+H-H2O]+ 167.11845 129.3
[M+HCOO]- 229.11939 160.5
[M+CH3COO]- 243.13504 198.1
[M+Na-2H]- 205.09586 144.6
[M]+ 184.12064 138.5
[M]- 184.12174 138.5
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

No patent data available for this compound.