CID 154780159

2352608-17-2

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC1=CC(=C(C=C1)CCCN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H24N2O2/c1-11-7-8-12(6-5-9-16)13(10-11)17-14(18)19-15(2,3)4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKey
RQPPVIINBXGUEI-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(3-aminopropyl)-5-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 165.6
[M+Na]+ 287.17300 171.1
[M-H]- 263.17650 168.6
[M+NH4]+ 282.21760 182.0
[M+K]+ 303.14694 168.9
[M+H-H2O]+ 247.18104 159.0
[M+HCOO]- 309.18198 187.7
[M+CH3COO]- 323.19763 203.5
[M+Na-2H]- 285.15845 168.2
[M]+ 264.18323 166.7
[M]- 264.18433 166.7
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.