CID 2796271

3-methyl-4-isopropylaniline hydrochloride

Structural Information

Molecular Formula
C10H15N
SMILES
CC1=C(C=CC(=C1)N)C(C)C
InChI
InChI=1S/C10H15N/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7H,11H2,1-3H3
InChIKey
MKYJJJUJQHKWNM-UHFFFAOYSA-N
Compound name
3-methyl-4-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

149.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 132.7
[M+Na]+ 172.10967 145.4
[M+NH4]+ 167.15427 142.1
[M+K]+ 188.08361 138.9
[M-H]- 148.11317 136.2
[M+Na-2H]- 170.09512 139.8
[M]+ 149.11990 135.5
[M]- 149.12100 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe