CID 135481897

102147-13-7

Structural Information

Molecular Formula
C14H20N2
SMILES
CC(C)CN=C1CCCC2=CC=CC=C2N1
InChI
InChI=1S/C14H20N2/c1-11(2)10-15-14-9-5-7-12-6-3-4-8-13(12)16-14/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,15,16)
InChIKey
PHXRFTGKXJBGMW-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 148.1
[M+Na]+ 239.15186 151.7
[M-H]- 215.15536 151.6
[M+NH4]+ 234.19646 164.9
[M+K]+ 255.12580 152.3
[M+H-H2O]+ 199.15990 141.5
[M+HCOO]- 261.16084 166.5
[M+CH3COO]- 275.17649 193.5
[M+Na-2H]- 237.13731 153.2
[M]+ 216.16209 141.7
[M]- 216.16319 141.7
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