CID 3057519

74051-04-0

Structural Information

Molecular Formula

C₁₂H₁₉ClN₂

SMILES

CC(C)(CC1=C(C=C(C=C1)N(C)C)Cl)N

InChI

InChI=1S/C12H19ClN2/c1-12(2,14)8-9-5-6-10(15(3)4)7-11(9)13/h5-7H,8,14H2,1-4H3

InChIKey

PCRVJYBBMMROET-UHFFFAOYSA-N

Compound name

4-(2-amino-2-methylpropyl)-3-chloro-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.12367 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.130946	153.2
[M+Na]+	249.112888	160.9
[M-H]-	225.116394	157.9
[M+NH4]+	244.157493	172.7
[M+K]+	265.086828	157.6
[M+H-H2O]+	209.120930	148.0
[M+HCOO]-	271.121871	172.5
[M+CH3COO]-	285.137521	199.4
[M+Na-2H]-	247.098336	157.1
[M]+	226.12312142	155.2
[M]-	226.12421858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe