CID 200809

Valeramide, n-tert-butyl-2-propyl-

Structural Information

Molecular Formula
C12H25NO
SMILES
CCCC(CCC)C(=O)NC(C)(C)C
InChI
InChI=1S/C12H25NO/c1-6-8-10(9-7-2)11(14)13-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKey
OKLSRFBLQYAVGR-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.19362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.20090 152.7
[M+Na]+ 222.18284 157.1
[M-H]- 198.18634 152.5
[M+NH4]+ 217.22744 172.1
[M+K]+ 238.15678 156.5
[M+H-H2O]+ 182.19088 147.7
[M+HCOO]- 244.19182 172.5
[M+CH3COO]- 258.20747 191.8
[M+Na-2H]- 220.16829 155.0
[M]+ 199.19307 154.3
[M]- 199.19417 154.3
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.