CID 19626923

2-(cyclopropylmethoxy)aniline

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC1COC2=CC=CC=C2N
InChI
InChI=1S/C10H13NO/c11-9-3-1-2-4-10(9)12-7-8-5-6-8/h1-4,8H,5-7,11H2
InChIKey
CYXGZZBWPVAYOW-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

163.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 131.3
[M+Na]+ 186.08894 140.3
[M-H]- 162.09244 138.6
[M+NH4]+ 181.13354 146.8
[M+K]+ 202.06288 137.4
[M+H-H2O]+ 146.09698 124.8
[M+HCOO]- 208.09792 156.8
[M+CH3COO]- 222.11357 183.5
[M+Na-2H]- 184.07439 138.3
[M]+ 163.09917 132.9
[M]- 163.10027 132.9
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