CID 12722275

2,3,5-tris(1,1-dimethylethyl)-1h-pyrrole

Structural Information

Molecular Formula
C16H29N
SMILES
CC(C)(C)C1=CC(=C(N1)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C16H29N/c1-14(2,3)11-10-12(15(4,5)6)17-13(11)16(7,8)9/h10,17H,1-9H3
InChIKey
SLBIWZKDYTWOAN-UHFFFAOYSA-N
Compound name
2,3,5-tritert-butyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

235.23 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.23728 160.6
[M+Na]+ 258.21922 168.0
[M-H]- 234.22272 162.0
[M+NH4]+ 253.26382 179.6
[M+K]+ 274.19316 165.2
[M+H-H2O]+ 218.22726 156.4
[M+HCOO]- 280.22820 176.1
[M+CH3COO]- 294.24385 194.3
[M+Na-2H]- 256.20467 163.8
[M]+ 235.22945 161.5
[M]- 235.23055 161.5
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