CID 3742016

3,3-dimethyl-1-phenylbutan-2-amine

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)(C)C(CC1=CC=CC=C1)N
InChI
InChI=1S/C12H19N/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3
InChIKey
OTRQGAZWLJRILG-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-phenylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

177.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.7
[M+Na]+ 200.14097 148.3
[M-H]- 176.14447 145.6
[M+NH4]+ 195.18557 162.5
[M+K]+ 216.11491 146.2
[M+H-H2O]+ 160.14901 137.1
[M+HCOO]- 222.14995 164.1
[M+CH3COO]- 236.16560 185.1
[M+Na-2H]- 198.12642 147.9
[M]+ 177.15120 140.8
[M]- 177.15230 140.8
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