CID 19784693

(2-tert-butylphenyl)methanamine

Structural Information

Molecular Formula
C11H17N
SMILES
CC(C)(C)C1=CC=CC=C1CN
InChI
InChI=1S/C11H17N/c1-11(2,3)10-7-5-4-6-9(10)8-12/h4-7H,8,12H2,1-3H3
InChIKey
BUXBTEAGMORKKV-UHFFFAOYSA-N
Compound name
(2-tert-butylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

163.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 137.4
[M+Na]+ 186.125318 144.7
[M-H]- 162.128824 140.9
[M+NH4]+ 181.169923 158.3
[M+K]+ 202.099258 142.4
[M+H-H2O]+ 146.133360 132.3
[M+HCOO]- 208.134301 160.3
[M+CH3COO]- 222.149951 182.3
[M+Na-2H]- 184.110766 143.8
[M]+ 163.13555142 136.2
[M]- 163.13664858 136.2
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