CID 116517331

3-methyl-1-(2-phenylcyclopropyl)butan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)CC(C1CC1C2=CC=CC=C2)N
InChI
InChI=1S/C14H21N/c1-10(2)8-14(15)13-9-12(13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9,15H2,1-2H3
InChIKey
OXDBOUHXTCSCEK-UHFFFAOYSA-N
Compound name
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 143.7
[M+Na]+ 226.156618 150.6
[M-H]- 202.160124 150.5
[M+NH4]+ 221.201223 157.7
[M+K]+ 242.130558 147.2
[M+H-H2O]+ 186.164660 137.0
[M+HCOO]- 248.165601 165.9
[M+CH3COO]- 262.181251 194.7
[M+Na-2H]- 224.142066 146.6
[M]+ 203.16685142 144.2
[M]- 203.16794858 144.2
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.