CID 3032786

Trans-2-(2,6-xylyloxy)cyclopropylamine hydrochloride

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1=C(C(=CC=C1)C)O[C@@H]2C[C@H]2N
InChI
InChI=1S/C11H15NO/c1-7-4-3-5-8(2)11(7)13-10-6-9(10)12/h3-5,9-10H,6,12H2,1-2H3/t9-,10-/m1/s1
InChIKey
HPVILXPGAGEXFD-NXEZZACHSA-N
Compound name
(1R,2R)-2-(2,6-dimethylphenoxy)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 135.3
[M+Na]+ 200.10459 145.7
[M-H]- 176.10809 143.2
[M+NH4]+ 195.14919 150.9
[M+K]+ 216.07853 142.3
[M+H-H2O]+ 160.11263 129.1
[M+HCOO]- 222.11357 160.3
[M+CH3COO]- 236.12922 188.6
[M+Na-2H]- 198.09004 140.4
[M]+ 177.11482 138.0
[M]- 177.11592 138.0
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

No patent data available for this compound.