CID 3046361

N-cyclopropylmescaline hydrochloride

Structural Information

Molecular Formula
C15H23NO3
SMILES
COC1=CC(=CC(=C1OC)OC)CCNCC2CC2
InChI
InChI=1S/C15H23NO3/c1-17-13-8-12(6-7-16-10-11-4-5-11)9-14(18-2)15(13)19-3/h8-9,11,16H,4-7,10H2,1-3H3
InChIKey
DFDALGJXCBUKHT-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-2-(3,4,5-trimethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 159.8
[M+Na]+ 288.15702 168.3
[M-H]- 264.16052 167.4
[M+NH4]+ 283.20162 172.1
[M+K]+ 304.13096 165.1
[M+H-H2O]+ 248.16506 152.4
[M+HCOO]- 310.16600 184.4
[M+CH3COO]- 324.18165 204.6
[M+Na-2H]- 286.14247 163.8
[M]+ 265.16725 167.7
[M]- 265.16835 167.7
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