CID 75419

3,5-di-tert-butylaniline

Structural Information

Molecular Formula
C14H23N
SMILES
CC(C)(C)C1=CC(=CC(=C1)N)C(C)(C)C
InChI
InChI=1S/C14H23N/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,15H2,1-6H3
InChIKey
MJKNHXCPGXUEDO-UHFFFAOYSA-N
Compound name
3,5-ditert-butylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

704
Patents

205.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 149.9
[M+Na]+ 228.17226 157.4
[M-H]- 204.17576 153.6
[M+NH4]+ 223.21686 169.6
[M+K]+ 244.14620 154.9
[M+H-H2O]+ 188.18030 145.1
[M+HCOO]- 250.18124 170.2
[M+CH3COO]- 264.19689 192.5
[M+Na-2H]- 226.15771 154.9
[M]+ 205.18249 149.6
[M]- 205.18359 149.6
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.