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

813
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

literature stripe

Patent stripe

patents stripe