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]+ 192.13829 140.0
[M+Na]+ 214.12023 148.1
[M-H]- 190.12373 147.4
[M+NH4]+ 209.16483 154.7
[M+K]+ 230.09417 145.1
[M+H-H2O]+ 174.12827 133.0
[M+HCOO]- 236.12921 165.4
[M+CH3COO]- 250.14486 189.9
[M+Na-2H]- 212.10568 146.9
[M]+ 191.13046 143.2
[M]- 191.13156 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.