CID 4099980

2-chloro-n,n,4-trimethylbenzenamine

Structural Information

Molecular Formula
C9H12ClN
SMILES
CC1=CC(=C(C=C1)N(C)C)Cl
InChI
InChI=1S/C9H12ClN/c1-7-4-5-9(11(2)3)8(10)6-7/h4-6H,1-3H3
InChIKey
GPYYUDWDKLIISZ-UHFFFAOYSA-N
Compound name
2-chloro-N,N,4-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

169.06583 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.073106 133.3
[M+Na]+ 192.055048 142.7
[M-H]- 168.058554 138.8
[M+NH4]+ 187.099653 155.7
[M+K]+ 208.028988 140.2
[M+H-H2O]+ 152.063090 128.6
[M+HCOO]- 214.064031 154.9
[M+CH3COO]- 228.079681 185.8
[M+Na-2H]- 190.040496 139.2
[M]+ 169.06528142 136.5
[M]- 169.06637858 136.5
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