CID 3071178

87498-58-6

Structural Information

Molecular Formula
C14H23N3
SMILES
CC(C1=CC=CC=C1)NN2CCCN(CC2)C
InChI
InChI=1S/C14H23N3/c1-13(14-7-4-3-5-8-14)15-17-10-6-9-16(2)11-12-17/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKey
NIGQXJIPIUMGDP-UHFFFAOYSA-N
Compound name
4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.19648 154.2
[M+Na]+ 256.17842 156.3
[M-H]- 232.18192 158.0
[M+NH4]+ 251.22302 167.6
[M+K]+ 272.15236 157.8
[M+H-H2O]+ 216.18646 144.8
[M+HCOO]- 278.18740 171.1
[M+CH3COO]- 292.20305 196.2
[M+Na-2H]- 254.16387 157.6
[M]+ 233.18865 146.3
[M]- 233.18975 146.3
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.