CID 209793

Valeramide, n-methyl-2-propyl-

Structural Information

Molecular Formula
C9H19NO
SMILES
CCCC(CCC)C(=O)NC
InChI
InChI=1S/C9H19NO/c1-4-6-8(7-5-2)9(11)10-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKey
CGCDPLMLTIOADD-UHFFFAOYSA-N
Compound name
N-methyl-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

157.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 139.7
[M+Na]+ 180.13589 144.8
[M-H]- 156.13939 139.7
[M+NH4]+ 175.18049 160.6
[M+K]+ 196.10983 144.5
[M+H-H2O]+ 140.14393 134.5
[M+HCOO]- 202.14487 162.0
[M+CH3COO]- 216.16052 183.1
[M+Na-2H]- 178.12134 142.8
[M]+ 157.14612 140.7
[M]- 157.14722 140.7
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