CID 18672802

4-(tert-butoxy)butan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H19NO
SMILES
CC(C)(C)OCCCCN
InChI
InChI=1S/C8H19NO/c1-8(2,3)10-7-5-4-6-9/h4-7,9H2,1-3H3
InChIKey
QRZWANKQFGYRAH-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxy]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

145.14667 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 135.9
[M+Na]+ 168.13589 142.0
[M-H]- 144.13939 135.6
[M+NH4]+ 163.18049 157.3
[M+K]+ 184.10983 141.7
[M+H-H2O]+ 128.14393 131.4
[M+HCOO]- 190.14487 158.1
[M+CH3COO]- 204.16052 179.0
[M+Na-2H]- 166.12134 141.6
[M]+ 145.14612 137.0
[M]- 145.14722 137.0
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

patents stripe