CID 217059

2-propylvaleric acid 2-isopropylidenehydrazide

Structural Information

Molecular Formula
C11H22N2O
SMILES
CCCC(CCC)C(=O)NN=C(C)C
InChI
InChI=1S/C11H22N2O/c1-5-7-10(8-6-2)11(14)13-12-9(3)4/h10H,5-8H2,1-4H3,(H,13,14)
InChIKey
ARYKQGBMGGVEDY-UHFFFAOYSA-N
Compound name
N-(propan-2-ylideneamino)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.180496 151.9
[M+Na]+ 221.162438 155.7
[M-H]- 197.165944 152.9
[M+NH4]+ 216.207043 171.3
[M+K]+ 237.136378 155.7
[M+H-H2O]+ 181.170480 145.6
[M+HCOO]- 243.171421 175.2
[M+CH3COO]- 257.187071 196.0
[M+Na-2H]- 219.147886 153.3
[M]+ 198.17267142 153.2
[M]- 198.17376858 153.2
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.