CID 76908

3378-72-1

Structural Information

Molecular Formula
C11H17N
SMILES
CC(C)(C)NCC1=CC=CC=C1
InChI
InChI=1S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey
DLSOILHAKCBARI-UHFFFAOYSA-N
Compound name
N-benzyl-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

3293
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 143.7
[M-H]- 162.128824 140.9
[M+NH4]+ 181.169923 158.1
[M+K]+ 202.099258 141.7
[M+H-H2O]+ 146.133360 131.8
[M+HCOO]- 208.134301 160.8
[M+CH3COO]- 222.149951 181.9
[M+Na-2H]- 184.110766 145.5
[M]+ 163.13555142 136.7
[M]- 163.13664858 136.7
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