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 162.3
[M+Na]+ 258.21922 171.8
[M+NH4]+ 253.26382 169.3
[M+K]+ 274.19316 169.1
[M-H]- 234.22272 161.5
[M+Na-2H]- 256.20467 165.7
[M]+ 235.22945 163.6
[M]- 235.23055 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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