CID 24044751

N-(cyclopropylmethyl)-4-ethoxyaniline hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CCOC1=CC=C(C=C1)NCC2CC2
InChI
InChI=1S/C12H17NO/c1-2-14-12-7-5-11(6-8-12)13-9-10-3-4-10/h5-8,10,13H,2-4,9H2,1H3
InChIKey
KHSOYLGMVOBGKD-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-4-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 140.0
[M+Na]+ 214.120228 148.1
[M-H]- 190.123734 147.4
[M+NH4]+ 209.164833 154.7
[M+K]+ 230.094168 145.1
[M+H-H2O]+ 174.128270 133.0
[M+HCOO]- 236.129211 165.4
[M+CH3COO]- 250.144861 189.9
[M+Na-2H]- 212.105676 146.9
[M]+ 191.13046142 143.2
[M]- 191.13155858 143.2
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.