CID 3078291

Brn 5740308

Structural Information

Molecular Formula
C13H19N3
SMILES
CC(C)CC1=CC=C(C=C1)NC2=NCCN2
InChI
InChI=1S/C13H19N3/c1-10(2)9-11-3-5-12(6-4-11)16-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H2,14,15,16)
InChIKey
VKSYBUBFDSVUQC-UHFFFAOYSA-N
Compound name
N-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.16518 151.6
[M+Na]+ 240.14712 157.0
[M-H]- 216.15062 154.0
[M+NH4]+ 235.19172 168.1
[M+K]+ 256.12106 153.0
[M+H-H2O]+ 200.15516 143.1
[M+HCOO]- 262.15610 171.7
[M+CH3COO]- 276.17175 188.2
[M+Na-2H]- 238.13257 154.8
[M]+ 217.15735 147.9
[M]- 217.15845 147.9
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.