CID 39236581

Rac-(1r,2s)-2-[4-(propan-2-yl)phenyl]cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C)C1=CC=C(C=C1)[C@@H]2C[C@H]2N
InChI
InChI=1S/C12H17N/c1-8(2)9-3-5-10(6-4-9)11-7-12(11)13/h3-6,8,11-12H,7,13H2,1-2H3/t11-,12+/m0/s1
InChIKey
NPJVJYLURDCJGT-NWDGAFQWSA-N
Compound name
trans-(1R,2S)-2-(4-propan-2-ylphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 135.3
[M+Na]+ 198.125318 144.2
[M-H]- 174.128824 142.8
[M+NH4]+ 193.169923 150.8
[M+K]+ 214.099258 140.8
[M+H-H2O]+ 158.133360 129.0
[M+HCOO]- 220.134301 159.0
[M+CH3COO]- 234.149951 189.2
[M+Na-2H]- 196.110766 139.7
[M]+ 175.13555142 136.0
[M]- 175.13664858 136.0
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