CID 132398679

2172547-31-6

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)(C)OC(=O)NC(C)(C)C1=CC=C(C=C1)CN
InChI
InChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-15(4,5)12-8-6-11(10-16)7-9-12/h6-9H,10,16H2,1-5H3,(H,17,18)
InChIKey
VHRULXKYLGHVFZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[4-(aminomethyl)phenyl]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 164.8
[M+Na]+ 287.17300 169.8
[M-H]- 263.17650 167.8
[M+NH4]+ 282.21760 181.0
[M+K]+ 303.14694 168.1
[M+H-H2O]+ 247.18104 158.7
[M+HCOO]- 309.18198 185.3
[M+CH3COO]- 323.19763 202.7
[M+Na-2H]- 285.15845 169.1
[M]+ 264.18323 165.0
[M]- 264.18433 165.0
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.