CID 485399

16183-32-7

Structural Information

Molecular Formula
C11H16ClN
SMILES
CCCCNCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H16ClN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3
InChIKey
GGXSMTDUGAXVLL-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

197.09712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10440 143.6
[M+Na]+ 220.08634 151.0
[M-H]- 196.08984 146.8
[M+NH4]+ 215.13094 163.8
[M+K]+ 236.06028 146.5
[M+H-H2O]+ 180.09438 138.3
[M+HCOO]- 242.09532 163.9
[M+CH3COO]- 256.11097 187.2
[M+Na-2H]- 218.07179 149.8
[M]+ 197.09657 145.8
[M]- 197.09767 145.8
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

No patent data available for this compound.