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

2
Patents

184.12119 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 141.4
[M+Na]+ 207.110408 148.2
[M-H]- 183.113914 141.7
[M+NH4]+ 202.155013 158.9
[M+K]+ 223.084348 148.3
[M+H-H2O]+ 167.118450 129.3
[M+HCOO]- 229.119391 160.5
[M+CH3COO]- 243.135041 198.1
[M+Na-2H]- 205.095856 144.6
[M]+ 184.12064142 138.5
[M]- 184.12173858 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

patents stripe