CID 9571649

Nsc695236

Structural Information

Molecular Formula
C13H24N2
SMILES
CN(C)/N=C/1\CCCCCC1CCC=C
InChI
InChI=1S/C13H24N2/c1-4-5-9-12-10-7-6-8-11-13(12)14-15(2)3/h4,12H,1,5-11H2,2-3H3/b14-13+
InChIKey
JHDFENFBBMSVAW-BUHFOSPRSA-N
Compound name
N-[(E)-(2-but-3-enylcycloheptylidene)amino]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.19395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.20123 147.5
[M+Na]+ 231.18317 148.8
[M-H]- 207.18667 153.5
[M+NH4]+ 226.22777 165.7
[M+K]+ 247.15711 152.3
[M+H-H2O]+ 191.19121 141.0
[M+HCOO]- 253.19215 169.9
[M+CH3COO]- 267.20780 199.9
[M+Na-2H]- 229.16862 150.1
[M]+ 208.19340 142.1
[M]- 208.19450 142.1
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.