CID 18525875

[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine

Structural Information

Molecular Formula
C14H23N3
SMILES
CN1CCCN(CC1)CC2=CC=C(C=C2)CN
InChI
InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3
InChIKey
AQLZGQUKWNQYPH-UHFFFAOYSA-N
Compound name
[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

233.1892 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.19648 154.9
[M+Na]+ 256.17842 158.2
[M-H]- 232.18192 158.6
[M+NH4]+ 251.22302 168.5
[M+K]+ 272.15236 159.0
[M+H-H2O]+ 216.18646 145.6
[M+HCOO]- 278.18740 172.2
[M+CH3COO]- 292.20305 195.8
[M+Na-2H]- 254.16387 157.7
[M]+ 233.18865 147.0
[M]- 233.18975 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe